
 CHEMBL296405

 65 68  0  0  0  0  0  0  0  0999 V2000
    5.4492    7.6237   -0.0654 C   0  0  0  0  0
    6.5216    7.6785   -1.1495 C   0  0  0  0  0
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    5.9013    7.6409    0.9322 H   0  0  0  0  0
    4.7946    8.4985   -0.1481 H   0  0  0  0  0
    7.0275    8.6399   -1.0114 H   0  0  0  0  0
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    9.7351    7.9954   -0.4704 H   0  0  0  0  0
    9.0318    8.9419   -1.8016 H   0  0  0  0  0
   10.4717    7.9659   -2.0798 H   0  0  0  0  0
    6.1598    5.0376   -0.5135 H   0  0  0  0  0
    7.7001    4.4879   -1.0881 H   0  0  0  0  0
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    5.5727    5.7705   -2.8825 H   0  0  0  0  0
    4.8311    3.6179   -2.0404 H   0  0  0  0  0
    4.2853    4.4915   -4.3387 H   0  0  0  0  0
    4.1366    2.7602   -4.1878 H   0  0  0  0  0
    5.2602    3.2130   -6.2776 H   0  0  0  0  0
    6.4035    4.3079   -5.5166 H   0  0  0  0  0
    6.2469    1.2775   -5.2281 H   0  0  0  0  0
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    6.7724   -5.7669   -3.1064 H   0  0  0  0  0
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    0.7637   -0.7684   -3.9137 H   0  0  0  0  0
    2.2285   -2.3208   -5.1701 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  3  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL296405

>  <PubChem CID>
13578551

>  <Formula>
C25H33N5O2

>  <Molecular Weight>
435.572000

>  <IUPAC Name>
11-[2-[2-[2-(diethylamino)ethyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

>  <Isomeric SMILES>
CCN(CC)CCC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H33N5O2/c1-3-28(4-2)17-14-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)

>  <InChI Key>
BFECXTOKFYXZDH-UHFFFAOYSA-N

